Keyword(s): Human Metabolites
Molecule Category Free-form
UNII G9B8U869J8
EPA CompTox DTXSID10193199

Structure

InChI Key MVRCPAOYPLZMLB-UHFFFAOYSA-N
Smiles FC1=CC=CC(=C1)C(Cl)Cl
InChI
InChI=1/C7H5Cl2F/c8-7(9)5-2-1-3-6(10)4-5/h1-4,7H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5Cl2F
Molecular Weight 177.98
AlogP 3.3
Number of Rotational Bond 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 402-64-2
NORMAN SUSDAT
FDA SRS G9B8U869J8
PubChem 67875